TY - JOUR
T1 - Influences of composition and temperature on the behaviors of a binary mixture containing methanol and 1-ethylimidazole
AU - Zhou, Xinzi
AU - Hou, Haiyun
AU - Wang, Junru
AU - Zhang, Luohong
AU - Shi, Haojun
AU - Lan, Yijun
AU - Du, Yanping
AU - Yang, Jing
AU - Liu, Chang
N1 - Publisher Copyright:
© 2021 Elsevier B.V.
PY - 2021/5/15
Y1 - 2021/5/15
N2 - As a further investigation on the binary mixtures containing 1-alkylimidazole, over the whole composition range and at atmospheric pressure, density, ρ, sound velocity, u, of binary system of x 1-ethylimidazole (abbreviated as 1-Eim) + (1-x) methanol, were measured at temperatures (293.15–328.15) K; refractive index, nD, and viscosity, η, of them were determined at temperatures (293.15–318.15) K; 1H NMR, δH, is measured at 288.15 K; isobaric thermal expansivity, αp, isentropic compressibility, κS, excess and deviation properties were calculated. The excess enthalpy and Gibbs free energy were predicted by COSMO-RS model. All the properties indicate that the real mixing process is a spontaneous enthalpy-driving process with liquid structure more ordered, and a lower temperature more benefits the process. There are stronger attractive interactions in the mixture than in pure liquids. The H-bonded interactions are the main attractive interactions in the mixture, followed by the electrostatic/misfit interaction and the Van der Waals force. A H-bonded network with a ration of methanol:1-Eim = 1:1 appears in the mixture, and reaches its maximum amount at x about 0.4; via the N···HO, the rearrangement of electron densities occurs where protons of 1-Eim and hydroxyl all show electron-donating abilities while methyl protons of methanol show electron-withdrawing ability.
AB - As a further investigation on the binary mixtures containing 1-alkylimidazole, over the whole composition range and at atmospheric pressure, density, ρ, sound velocity, u, of binary system of x 1-ethylimidazole (abbreviated as 1-Eim) + (1-x) methanol, were measured at temperatures (293.15–328.15) K; refractive index, nD, and viscosity, η, of them were determined at temperatures (293.15–318.15) K; 1H NMR, δH, is measured at 288.15 K; isobaric thermal expansivity, αp, isentropic compressibility, κS, excess and deviation properties were calculated. The excess enthalpy and Gibbs free energy were predicted by COSMO-RS model. All the properties indicate that the real mixing process is a spontaneous enthalpy-driving process with liquid structure more ordered, and a lower temperature more benefits the process. There are stronger attractive interactions in the mixture than in pure liquids. The H-bonded interactions are the main attractive interactions in the mixture, followed by the electrostatic/misfit interaction and the Van der Waals force. A H-bonded network with a ration of methanol:1-Eim = 1:1 appears in the mixture, and reaches its maximum amount at x about 0.4; via the N···HO, the rearrangement of electron densities occurs where protons of 1-Eim and hydroxyl all show electron-donating abilities while methyl protons of methanol show electron-withdrawing ability.
KW - 1-Ethylimidazole
KW - COSMO-RS technology
KW - H NMR
KW - H-bonded interactions
KW - Jouyban–Acree model
KW - Physical properties
UR - http://www.scopus.com/inward/record.url?scp=85101497043&partnerID=8YFLogxK
U2 - 10.1016/j.molliq.2021.115503
DO - 10.1016/j.molliq.2021.115503
M3 - 文章
AN - SCOPUS:85101497043
SN - 0167-7322
VL - 330
JO - Journal of Molecular Liquids
JF - Journal of Molecular Liquids
M1 - 115503
ER -